Скачать или смотреть Computational thermodynamics - OpenCalphad, by Professor Bo Sundman

A talk by Professor Emeritus Bo Sundman of KTH Royal Institute of Technology, Stockholm, as a part of the "Modern Steel Development and Modelling" meeting, 2021. Video recording courtesy of Dipl.-Ing. Dr. Ludovic SAMEK, Professor of Metals Science, of the University of Applied Sciences in Upper Austria. The link to the meeting web site is:
https://www.fh-ooe.at/campus-wels/msd...

OpenCalphad is an informal international collaboration of scientists and researchers interested in the development of free high quality software and databases for thermodynamic calculations for all kinds of applications.
The intention is to allow interested scientists to develop thermodynamic models and assess model parameters for thermodynamic databases to describe experimental data as well as theoretical results from DFT calculations to calculate phase equilibria and phase diagrams. The software can also be used to provide scientists interested in materials simulations a flexible and reliable software using consistent thermodynamic databases. Contributions of ideas, software and databases are welcome.
A particular interest is to support the current work on a new set of databases with models that will give a continuous description of the thermodynamic properties of the pure elements from 0 K up to very high temperatures and pressures, avoiding awkward breakpoints at real or fictitious transformation temperatures. Some examples of calculations can be found here http://www.opencalphad.org/

The OC project was initiated by Suzana G. Fries as part of the Sapiens project at ICAMS (Interdisciplinary Centre for Advanced Materials Simulations) in Ruhr University, Bochum, Germany.